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CHEBI:64063 - (S)-salmeterol

Default Structure
ChEBI IDCHEBI:64063
ChEBI Name(S)-salmeterol
Stars
ASCII Name(S)-salmeterol
Definition2-(Hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol in which the stereocentre has S configuration.
Last Modified8 May 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H37NO4
Net Charge0
Average Mass415.574
Monoisotopic Mass415.27226
SMILESOCc1cc([C@H](O)CNCCCCCCOCCCCc2ccccc2)ccc1O
InChIInChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2/t25-/m1/s1
InChIKeyGIIZNNXWQWCKIB-RUZDIDTESA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(S)-salmeterol (CHEBI:64063) is a 2-(hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol (CHEBI:64064)
(S)-salmeterol (CHEBI:64063) is enantiomer of (R)-salmeterol (CHEBI:64062)
Incoming Relation(s)
salmeterol (CHEBI:9011) has part (S)-salmeterol (CHEBI:64063)
(R)-salmeterol (CHEBI:64062) is enantiomer of (S)-salmeterol (CHEBI:64063)